Sugi Predict

Sugi Predict / Compounds / SCHEMBL3748432

SCHEMBL3748432

SCHEMBL3748432

COCc1c(-c2nc(-c3cccc(S(C)(=O)=O)c3)no2)nnn1-c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.55
▸ TP53 P04637 4/20 0.42
▸ MAPT P10636 4/20 0.40
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HSD11B1 P28845 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ BLVRB P30043 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10181600 0.93 S1PR1 (0.48) S1PR1TP53MAPTCA2CA9
SCHEMBL3753146 0.92 CA9 (0.50) S1PR1TP53MAPTCA2CA9
SCHEMBL3763187 0.86 MAPT (0.49) S1PR1TP53MAPTRAB9ANPC1
SCHEMBL10180292 0.86 TP53 (0.54) TP53MAPTCA2CA9RAB9A
SCHEMBL3760776 0.84 CA9 (0.47) S1PR1TP53CA2CA9CA12
SCHEMBL10181814 0.83 TP53 (0.42) S1PR1TP53MAPTCA2CA9
SCHEMBL3754794 0.82 S1PR1 (0.73) S1PR1TP53MAPTCA2CA9
SCHEMBL10179953 0.82 RAB9A (0.47) S1PR1TP53MAPTRAB9ANPC1
SCHEMBL3455783 0.81 TP53 (0.43) S1PR1TP53MAPTRAB9ANPC1
SCHEMBL3760886 0.81 PPARA (0.45) S1PR1TP53MAPTRAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 — — EP disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 — — EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 — — US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 — — US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 — — US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 — — US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 — — US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 — — US disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 S1PR1 517/4885TP53 2220/4885MAPT 2478/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.